C336-0086 Screening compound: 3-[5-({2-[(2-CHLOROBENZYL)AMINO]-2-OXOETHYL}SULFANYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]-N~1~-CYCLOHEXYLPROPANAMIDE

C336-0086 Screening compound: 3-[5-({2-[(2-CHLOROBENZYL)AMINO]-2-OXOETHYL}SULFANYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]-N~1~-CYCLOHEXYLPROPANAMIDE
C336-0086 Screening compound: 3-[5-({2-[(2-CHLOROBENZYL)AMINO]-2-OXOETHYL}SULFANYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]-N~1~-CYCLOHEXYLPROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0086
3-[5-({2-[(2-CHLOROBENZYL)AMINO]-2-OXOETHYL}SULFANYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]-N~1~-CYCLOHEXYLPROPANAMIDE

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C336-0086

Molecular Formula

C28H30ClN5O3S (C28 H30 ClN5 O3 S)

Compound Name

3-[5-({2-[(2-CHLOROBENZYL)AMINO]-2-OXOETHYL}SULFANYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]-N~1~-CYCLOHEXYLPROPANAMIDE

IUPAC name

n/a

SMILES

O=C(CCC1N2C(SCC(NCc(cccc3)c3Cl)=O)=Nc(cccc3)c3C2=NC1=O)NC1CCCCC1

InChI

InChI=1S/C28H30ClN5O3S/c29-21-12-6-4-8-18(21)16-30-25(36)17-38-28-32-22-13-7-5-11-20(22)26-33-27(37)23(34(26)28)14-15-24(35)31-19-9-2-1-3-10-19/h4-8,11-13,19,23H,1-3,9-10,14-17H2,(H,30,36)(H,31,35)/t23-/m0/s1

InChI Key

IZMGRSYFGQUFEP-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.1

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.876

Distribution Coefficient, logD

3.875

Water Solubility, LogSw

-4.38

Polar Surface Area

83.820

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

C336-0086 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C336-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0086?
Check Price and Availability of C336-0086, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C336-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0086
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C336-0086 available by request